SCHEMBL29125715

SCHEMBL29125715

CCc1cccc(CC)c1OC(CC)SCc1n[nH]c(=S)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29126008 0.89 TSHR (0.43) ADRA2AADRA2BADRA2CTSHR
SCHEMBL29125786 0.81 KDM4E (0.35) —
SCHEMBL29125778 0.81 NPC1 (0.30) —
SCHEMBL29125881 0.80 KMT2A (0.31) TSHR
SCHEMBL29125854 0.79 ENPP3 (0.44) TSHR
SCHEMBL29128454 0.78 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL29125811 0.78 ADORA2A (0.34) —
SCHEMBL29125743 0.77 TTR (0.33) —
SCHEMBL29125997 0.75 GAA (0.30) —
SCHEMBL29128519 0.74 ADRA2A (0.34) ADRA2AADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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